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1H-1,2,3-triazole-4-carboxamide, 5-amino-1-(3-bromophenyl)-N-(2-thienylmethyl)-
SpectraBase Compound ID EegbGq5VPic
InChI InChI=1S/C14H12BrN5OS/c15-9-3-1-4-10(7-9)20-13(16)12(18-19-20)14(21)17-8-11-5-2-6-22-11/h1-7H,8,16H2,(H,17,21)
InChIKey QMMXJSQFUURPAU-UHFFFAOYSA-N
Mol Weight 378.25 g/mol
Molecular Formula C14H12BrN5OS
Exact Mass 376.994594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8nn87z0zmCF
Name 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-(3-bromophenyl)-N-(2-thienylmethyl)-
Comments Computed using HOSE algorithm
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Exact Mass 376.994594199 u
Formula C14H12BrN5OS
InChI InChI=1S/C14H12BrN5OS/c15-9-3-1-4-10(7-9)20-13(16)12(18-19-20)14(21)17-8-11-5-2-6-22-11/h1-7H,8,16H2,(H,17,21)
InChIKey QMMXJSQFUURPAU-UHFFFAOYSA-N
Molecular Weight 378.248 g/mol
SMILES N(C(C=1N=NN(C1N)C1=CC(Br)=CC=C1)=O)CC=1SC=CC1